8VK2

X-ray crystal structure of human IgE 4C8 Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-24
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	62.009, 80.664, 164.807
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.207 - 2.508
Rwork	0.198
R-free	0.24710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7mlh
RMSD bond length	0.006
RMSD bond angle	1.220
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.207	2.540
High resolution limit [Å]	2.500	2.500
Rmerge	0.158	0.708
Rmeas	0.171	0.773
Rpim	0.064	0.307
Number of reflections	29122	1423
<I/σ(I)>	16.6	2
Completeness [%]	99.9	99.9
Redundancy	6.9	5.8
CC(1/2)	0.980	0.819

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	293	0.1 M Tris, 0.1 M sodium formate, 20% w/v PEG3350